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https://github.com/yu9824/ternary_diagram

This package makes it easier for you to draw beautiful ternary diagram without pymatgen.
https://github.com/yu9824/ternary_diagram

chemistry materials-informatics matplotlib python ternary-diagrams visualization

Last synced: 4 months ago
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This package makes it easier for you to draw beautiful ternary diagram without pymatgen.

Host: GitHub
URL: https://github.com/yu9824/ternary_diagram
Owner: yu9824
License: mit
Created: 2020-09-06T07:04:21.000Z (over 4 years ago)
Default Branch: main
Last Pushed: 2023-09-16T13:02:55.000Z (over 1 year ago)
Last Synced: 2024-08-08T20:39:57.770Z (7 months ago)
Topics: chemistry, materials-informatics, matplotlib, python, ternary-diagrams, visualization
Language: Python
Homepage: https://yu9824.github.io/ternary_diagram/
Size: 17.4 MB
Stars: 15
Watchers: 1
Forks: 2
Open Issues: 1
Metadata Files:
- Readme: README.md
- License: LICENSE

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README

        # Ternary Diagram

[![python_badge](https://img.shields.io/pypi/pyversions/ternary-diagram)](https://pypi.org/project/ternary-diagram/)

[![license_badge](https://img.shields.io/pypi/l/ternary-diagram)](https://pypi.org/project/ternary-diagram/)

[![PyPI version](https://badge.fury.io/py/ternary-diagram.svg)](https://pypi.org/project/ternary-diagram/)

[![Downloads](https://static.pepy.tech/badge/ternary-diagram)](https://pepy.tech/project/ternary-diagram)

[![Test on each version](https://github.com/yu9824/ternary_diagram/actions/workflows/pytest-on-each-version.yaml/badge.svg)](https://github.com/yu9824/ternary_diagram/actions/workflows/pytest-on-each-version.yaml)

[![Code style: black](https://img.shields.io/badge/code%20style-black-000000.svg)](https://github.com/psf/black)

[![conda_badge](https://anaconda.org/conda-forge/ternary-diagram/badges/version.svg)](https://anaconda.org/conda-forge/ternary-diagram/)

[![arch_badge](https://anaconda.org/conda-forge/ternary-diagram/badges/platforms.svg)](https://anaconda.org/conda-forge/ternary-diagram)

This package makes it easier for you to draw beautiful ternary diagram **without** [pymatgen](https://pymatgen.org).

Meaningly, only need `numpy` and `matplotlib`.

## What you will be able to do with this package

- Create beautiful contour maps easily

- Creating a scatter plot

- Draw tie lines

- Automatically format chemical composition using subscripts

- Most of the matplotlib options are available

![/example/contour/example_contour.png](https://github.com/yu9824/ternary_diagram/blob/main/example/contour/example_contour.png?raw=true "example")

## How to install

### PyPI

```bash

pip install ternary-diagram

```

PyPI project is [here](https://pypi.org/project/ternary-diagram/).

### Anaconda

```bash

conda install -c conda-forge ternary-diagram

```

Anaconda (conda-forge) package site is [here](https://anaconda.org/conda-forge/ternary-diagram).

## Usage

See [Examples](#examples) and the [documentation](https://yu9824.github.io/ternary_diagram/).

### Examples

An easy example is here.

```python

import matplotlib.pyplot as plt

from ternary_diagram import TernaryDiagram

# You can set `ax` to select which axes to draw. If not, the current axes will be used.

td = TernaryDiagram(["Li2O", "La2O3", "TiO2"])

# scatter

td.scatter(vector=[[1, 1, 1], [1, 2, 3]], z=[0, 1])

# You can set some options in `plt.scatter` like `marker`, `c` etc.

td.scatter(vector=[[2, 1, 3], [3, 2, 1]], marker="s", c="#022c5e", s=30)

# line plot

# You can set some options in `plt.plot` like `lw`, `c`, and so on.

td.plot([[1, 1, 1], [1, 2, 3]], color="black")

# save figure

td.fig.savefig("figure.png", dpi=144)

```

![/example/example_on_readme/figure.png](https://github.com/yu9824/ternary_diagram/blob/main/example/example_on_readme/figure.png?raw=true)

It can be written like this.

```python

# The background color is sometimes transparent in jupyter notebooks, so set facecolor 'white'.

fig, ax = plt.subplots(facecolor="w")

# You can set `ax` to select which axes to draw. If not, the current axes will be used.

td = TernaryDiagram(["Li2O", "La2O3", "TiO2"], ax=ax)

# scatter

td.scatter(vector=[[1, 1, 1], [1, 2, 3]], z=[0, 1])

# You can set some options in `plt.scatter` like `marker`, `c` etc.

td.scatter(vector=[[2, 1, 3], [3, 2, 1]], marker="s", c="#022c5e", s=30)

# line plot

# You can set some options in `plt.plot` like `lw`, `c`, and so on.

td.plot([[1, 1, 1], [1, 2, 3]], color="black")

# save figure

fig.savefig("figure.png", dpi=144)

```

It means that you can draw multiple figures in one figure object.

See also the [example](https://github.com/yu9824/ternary_diagram/tree/main/example) folder.

## Histories

### v3.1.0

- Delete `.utils._BasePlotter.get_x_y` (we should access directly).

- Resolve #10 (Create `fill` argument in `TernaryDiagram.contour`).

- Resolve #11 (Create `auto_latex_notation` argument in `TernaryDiagram`).

- Update documentation.

- Update docstrings and typings.

## LICENSE

See [LICENSE](https://github.com/yu9824/ternary_diagram/tree/main/LICENSE).

MIT Licence

Copyright (c) 2021 yu9824